CID 44546135

8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2h-furo[2,3-h]-1-benzopyran-2-one

Structural Information

Molecular Formula
C21H26O6
SMILES
CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=C12)O)C(=O)CCC)C(C)(C)O
InChI
InChI=1S/C21H26O6/c1-5-7-11-9-15(23)27-19-12-10-14(21(3,4)25)26-20(12)17(13(22)8-6-2)18(24)16(11)19/h9,14,24-25H,5-8,10H2,1-4H3
InChIKey
AHRWRZGWPYCGMI-UHFFFAOYSA-N
Compound name
6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-8,9-dihydrofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.17294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18022 187.3
[M+Na]+ 397.16216 198.0
[M+NH4]+ 392.20676 192.4
[M+K]+ 413.13610 196.3
[M-H]- 373.16566 189.2
[M+Na-2H]- 395.14761 186.4
[M]+ 374.17239 189.3
[M]- 374.17349 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.